CID 11988372

Methyl (z)-4-(6,7-dihydroxy-2-naphthyl)-2-hydroxy-4-oxo-but-2-enoate

Structural Information

Molecular Formula
C15H12O6
SMILES
COC(=O)C(=O)/C=C(/C1=CC2=CC(=C(C=C2C=C1)O)O)\O
InChI
InChI=1S/C15H12O6/c1-21-15(20)14(19)7-11(16)9-3-2-8-5-12(17)13(18)6-10(8)4-9/h2-7,16-18H,1H3/b11-7-
InChIKey
YFZTXHXYPYCUMQ-XFFZJAGNSA-N
Compound name
methyl (Z)-4-(6,7-dihydroxynaphthalen-2-yl)-4-hydroxy-2-oxobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.0634 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.070676 160.6
[M+Na]+ 311.052618 167.7
[M-H]- 287.056124 161.4
[M+NH4]+ 306.097223 175.0
[M+K]+ 327.026558 164.8
[M+H-H2O]+ 271.060660 154.7
[M+HCOO]- 333.061601 177.2
[M+CH3COO]- 347.077251 195.0
[M+Na-2H]- 309.038066 162.1
[M]+ 288.06285142 161.6
[M]- 288.06394858 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.